[(8S)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone

C16H17N3O3S — CID 124788339

About [(8S)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone

[(8S)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 124788339) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is [(8S)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

• Compound Name: [(8S)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone
• PubChem CID: 124788339
• Molecular Formula: C16H17N3O3S
• Molecular Weight: 331.40 g/mol
• Exact Mass: 331.10
• IUPAC Name: [(8S)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone
• SMILES: O=C(c1cscn1)N1CC2(C1)OCC[C@H]2COc1cccnc1
• InChI: InChI=1S/C16H17N3O3S/c20-15(14-8-23-11-18-14)19-9-16(10-19)12(3-5-22-16)7-21-13-2-1-4-17-6-13/h1-2,4,6,8,11-12H,3,5,7,9-10H2/t12-/m0/s1
• InChIKey: CAFJSSAJMCDPQQ-LBPRGKRZSA-N
• XLogP: 1.85
• TPSA: 64.55 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.40
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(8S)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone?

The IUPAC name of [(8S)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone (CID 124788339) is [(8S)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone.

What is the SMILES notation for [(8S)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone?

The canonical SMILES for [(8S)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CC2(C1)OCC[C@H]2COc1cccnc1.

What is the InChIKey of [(8S)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone?

The InChIKey is CAFJSSAJMCDPQQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17N3O3S/c20-15(14-8-23-11-18-14)19-9-16(10-19)12(3-5-22-16)7-21-13-2-1-4-17-6-13/h1-2,4,6,8,11-12H,3,5,7,9-10H2/t12-/m0/s1.

What are the key properties of [(8S)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone?

[(8S)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 331.40 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(8S)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 124788339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).